CID 44150885

Octahydrodimethyl-2,5-methano-2h-indeno[1,2-b]oxirene

Structural Information

Molecular Formula
C12H18O
SMILES
CC12CC3C4CCC(C4)C3C1(O2)C
InChI
InChI=1S/C12H18O/c1-11-6-9-7-3-4-8(5-7)10(9)12(11,2)13-11/h7-10H,3-6H2,1-2H3
InChIKey
PALRMMBVTSAXSM-UHFFFAOYSA-N
Compound name
3,5-dimethyl-4-oxatetracyclo[6.2.1.02,7.03,5]undecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

178.13577 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.14305 141.9
[M+Na]+ 201.12499 153.4
[M-H]- 177.12849 148.1
[M+NH4]+ 196.16959 168.1
[M+K]+ 217.09893 150.3
[M+H-H2O]+ 161.13303 139.9
[M+HCOO]- 223.13397 158.2
[M+CH3COO]- 237.14962 155.8
[M+Na-2H]- 199.11044 146.6
[M]+ 178.13522 145.9
[M]- 178.13632 145.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.